4IC0: PAI-1

Crystal Structure of PAI-1 in Complex with Gallate. Determined by X-ray diffraction at 2.32 Å resolution. Released 11 Dec 2013.

Method: X-ray diffraction
Resolution: 2.32 Å
Organism: Homo sapiens
Chains: 4
Atoms: 11,613
Mol. weight: 171.52 kDa
Ligands: GDE
Released: 11 Dec 2013

Explore 4IC0 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4IC0 contains 63 α-helices and 68 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 16 helices, 18 β-strands

Element	Residues	Length	Sheet
α-helix	7-26	20
β-strand	32-34	3	1
α-helix	36-49	14
α-helix	52-62	11
α-helix	71-82	12
β-strand	91-100	10	2
β-strand	105	1	3
α-helix	106	1
α-helix	109-117	9
β-strand	122-124	3	2
α-helix	129-143	15
α-helix	152-156	5
β-strand	163-171	9	2
α-helix	173-174	2
β-strand	175	1	4
α-helix	178-180	3
α-helix	181-183	3
β-strand	185-190	6	1
β-strand	196-214	19	1
β-strand	220-227	8	1
β-strand	228	1	4
α-helix	229-231	3
β-strand	233-240	8	1
α-helix	247-251	5
α-helix	256-264	9
β-strand	267-276	10	1
β-strand	278-285	8	2
α-helix	287-292	6
α-helix	297-299	3
β-strand	310	1	3
β-strand	319-328	10	2
β-strand	350-353	4	1
β-strand	358-364	7	1
β-strand	369-376	8	1

Chain B: 15 helices, 16 β-strands

Element	Residues	Length	Sheet
α-helix	6-25	20
β-strand	32-34	3	5
α-helix	36-47	12
α-helix	52-62	11
α-helix	71-82	12
β-strand	91-100	10	6
α-helix	105-106	2
α-helix	109-117	9
β-strand	122-124	3	6
α-helix	129-142	14
α-helix	152-156	5
β-strand	163-172	10	6
β-strand	175	1	7
α-helix	178-180	3
α-helix	181-183	3
β-strand	185-190	6	5
β-strand	196-214	19	5
β-strand	220-227	8	5
β-strand	228	1	7
α-helix	229-231	3
β-strand	233-240	8	5
α-helix	248-251	4
α-helix	256-264	9
β-strand	267-276	10	5
β-strand	278-285	8	6
α-helix	287-292	6
α-helix	297-299	3
β-strand	319-328	10	6
β-strand	351-353	3	5
β-strand	358-364	7	5
β-strand	369-376	8	5

Chain C: 16 helices, 18 β-strands

Element	Residues	Length	Sheet
α-helix	7-26	20
β-strand	32-34	3	8
α-helix	36-49	14
α-helix	52-62	11
α-helix	71-83	13
β-strand	91-100	10	9
β-strand	105	1	10
α-helix	106	1
α-helix	109-117	9
β-strand	122-124	3	9
α-helix	129-143	15
α-helix	152-156	5
β-strand	163-172	10	9
α-helix	173-174	2
β-strand	175	1	11
α-helix	178-180	3
α-helix	181-183	3
β-strand	185-190	6	8
β-strand	196-214	19	8
β-strand	220-227	8	8
β-strand	228	1	11
α-helix	229-231	3
β-strand	233-240	8	8
α-helix	248-251	4
α-helix	256-264	9
β-strand	267-276	10	8
β-strand	278-285	8	9
α-helix	287-292	6
α-helix	297-299	3
β-strand	310	1	10
β-strand	319-328	10	9
β-strand	350-353	4	8
β-strand	358-364	7	8
β-strand	369-376	8	8

Chain D: 16 helices, 16 β-strands

Element	Residues	Length	Sheet
α-helix	5-25	21
β-strand	32-34	3	12
α-helix	36-47	12
α-helix	52-62	11
α-helix	71-82	12
β-strand	91-100	10	13
α-helix	104-106	3
α-helix	109-117	9
β-strand	122-124	3	13
α-helix	129-143	15
α-helix	152-156	5
β-strand	163-172	10	13
α-helix	173-174	2
β-strand	175	1	14
α-helix	178-180	3
α-helix	181-183	3
β-strand	185-190	6	12
β-strand	196-214	19	12
β-strand	220-227	8	12
β-strand	228	1	14
α-helix	229-231	3
β-strand	233-240	8	12
α-helix	248-251	4
α-helix	256-264	9
β-strand	267-276	10	12
β-strand	278-285	8	13
α-helix	287-292	6
α-helix	297-299	3
β-strand	319-328	10	13
β-strand	351-353	3	12
β-strand	358-364	7	12
β-strand	369-376	8	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Plasminogen activator inhibitor 1	A, B, C, D	protein	379	Homo sapiens	P05121 (AlphaFold model)

Sequence of entity 1 (A, B, C, D), FASTA

>4IC0_1 Plasminogen activator inhibitor 1 (chains A, B, C, D)
VHHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTGGETQQQIQA
AMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQRDLKLVQGFMPHFFRLFRST
VKQVDFSEVERARFIINDWVKTHTKGMISHLLGTGAVQQLTRLVLVNALYFNGQWKTPFP
DSSTHRRLFHKSDGSTVSVPMMAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMFIAAP
YEKEVPLSALTNILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMTDMFR
QFQADFTSLSDQEPLHVALALQKVKIEVNESGTVASSSTAVIVSARMAPEEIIIDRPFLF
VVRHNPTGTVLFMGQVMEP

Ligands and cofactors

ID	Name	Formula	Copies
GDE	3,4,5-trihydroxybenzoic acid	C7 H6 O5	2

Primary citation

Crystal Structure of PAI-1 in Complex with Gallate. Hong, Z.B., Lin, Z.H., Gong, L.H. et al. To be published.

Other PDB entries of the same protein (UniProt P05121 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7AQF 1.77 Å, Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active…
1LJ5 1.8 Å, 1.8A Resolution Structure of Latent Plasminogen Activator Inhibitor-1(PAI-1)
6ZRV 1.88 Å, Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F)…
1A7C 1.95 Å, Human plasminogen activator inhibitor type-1 in complex with a pentapeptide
3CVM 2.02 Å, High resolution structure of a stable Plasminogen activator inhibitor type-1 in its…
6GWN 2.03 Å, Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F)…
1DVN 2.1 Å, Latent form of plasminogen activator inhibitor-1 (pai-1)
4G8R 2.19 Å, Crystal Structure of a novel small molecule inactivator bound to plasminogen activator…
7AQG 2.27 Å, Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active…
1OC0 2.28 Å, plasminogen activator inhibitor-1 complex with somatomedin B domain of vitronectin
6GWP 2.28 Å, Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in…
3PB1 2.3 Å, Crystal Structure of a Michaelis Complex between Plasminogen Activator Inhibitor-1 and…

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